1.0 2016-09-30 23:01:55 UTC 2020-04-22 15:11:29 UTC BMDB0002884 BMDB02884 Cetoleic acid (Z)-11-Docosenoic acid (Z)-Docos-11-enoic acid 22:1, N-11 cis C22:1, N-11 cis Cetoleinsaeure cis-11-Docosenoic acid cis-Delta(11)-Docosenoic acid cis-Docos-11-enoic acid Docos-11C-enoic acid Docos-11C-ensaeure (Z)-11-Docosenoate (Z)-Docos-11-enoate cis-11-Docosenoate cis-delta(11)-Docosenoate cis-Δ(11)-docosenoate cis-Δ(11)-docosenoic acid cis-Docos-11-enoate Docos-11C-enoate Cetoleate (11Z)-Docos-11-enoate (11Z)-Docos-11-enoic acid 11Z-Docosenoate 11Z-Docosenoic acid cis-Cetoleate cis-Cetoleic acid Cetoleic acid, (Z)-isomer 11-Docosenoic acid Cetoleic acid, (e)-isomer (11Z)-11-Docosenoic acid FA(22:1(11Z)) FA(22:1n11) Cetoleic acid C22H42O2 338.5677 338.318480588 (11Z)-docos-11-enoic acid cetoleic acid 1002-96-6 CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11- KJDZDTDNIULJBE-QXMHVHEDSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Unsaturated fatty acids docosenoic acid Solid logp 8.97 ALOGPS logs -7.17 ALOGPS logp 8.56 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac (11Z)-docos-11-enoic acid ChemAxon average_mass 338.5677 ChemAxon mono_mass 338.318480588 ChemAxon smiles CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O ChemAxon formula C22H42O2 ChemAxon inchi InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11- ChemAxon inchikey KJDZDTDNIULJBE-QXMHVHEDSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 105.81 ChemAxon polarizability 45.2 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10600 Specdb::CMs 38488 Specdb::CMs 168907 Specdb::MsMs 289360 Specdb::MsMs 289361 Specdb::MsMs 289362 Specdb::MsMs 328762 Specdb::MsMs 328763 Specdb::MsMs 328764 Specdb::MsMs 2842179 Specdb::MsMs 2842180 Specdb::MsMs 2842181 Specdb::MsMs 2866272 Specdb::MsMs 2866273 Specdb::MsMs 2866274 4445898 5282771 FDB003004 32428 261